Geometry & MOs

Info

ID:	128787
PubChem CID:	51057826
Reduced:	OSN4C6H12 (1)
Stoich.:	ABC4D6E12 (1)
Weight, g/mol:	387.97688
ΔH_f, kcal/mol:	1.32
Dipole, Da:	2.41
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl (E)-3-[5-(furan-2-yl)thiophen-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CNC(=S)NNC(=O)NCC=C

DOS

IR

Vibrations